2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide

C15H22N2O3 — CID 118722100

IUPAC2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide
SMILESCN(CC(=O)Nc1cc(O)ccc1O)C1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-17(11-5-3-2-4-6-11)10-15(20)16-13-9-12(18)7-8-14(13)19/h7-9,11,18-19H,2-6,10H2,1H3,(H,16,20)
InChIKeyDGOKTXLLEGEEAY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.30
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide

2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide (PubChem CID 118722100) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide
PubChem CID118722100
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide
SMILESCN(CC(=O)Nc1cc(O)ccc1O)C1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-17(11-5-3-2-4-6-11)10-15(20)16-13-9-12(18)7-8-14(13)19/h7-9,11,18-19H,2-6,10H2,1H3,(H,16,20)
InChIKeyDGOKTXLLEGEEAY-UHFFFAOYSA-N
XLogP2.30
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide (CID 118722100) is 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide is CN(CC(=O)Nc1cc(O)ccc1O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide?
The InChIKey is DGOKTXLLEGEEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(11-5-3-2-4-6-11)10-15(20)16-13-9-12(18)7-8-14(13)19/h7-9,11,18-19H,2-6,10H2,1H3,(H,16,20).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(2,5-dihydroxyphenyl)acetamide is sourced from PubChem (CID 118722100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).